CAS RN: 1539318-36-9
DFHBI 1T
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260310 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250424 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251207 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250413 | 20mg | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20251102 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251118 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250206 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250130 | 5mg | In stock | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: starshine_CAS1539318-36-9
- Purity/Analytical Methods: >99.0%
1539318-36-9 / (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-one
Basic Information
CAS
1539318-36-9
Multi CAS
No
Molecular Formula
C13H9F5N2O2
Molecular Weight
320.210000
Exact Mass
320.058418
SMILES
CC1=N/C(=C\C2=CC(=C(C(=C2)F)O)F)/C(=O)N1CC(F)(F)F
InChI
InChI=1S/C13H9F5N2O2/c1-6-19-10(12(22)20(6)5-13(16,17)18)4-7-2-8(14)11(21)9(15)3-7/h2-4,21H,5H2,1H3/b10-4-
InChIKey
AWYCLBWNRONMQC-WMZJFQQLSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.88
TPSA
52.9
LogP / Solubility
WLOGP
2.83
MLOGP
2.51
XLogP3
2.5
Consensus LogP
2.61
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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